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116632-42-9 | Benzene, 2-chloro-1-iodo-4-methyl-
CAS No: 116632-42-9 Catalog No: AG000CX3 MDL No:MFCD00079734
Product Description
Catalog Number:
AG000CX3
Chemical Name:
Benzene, 2-chloro-1-iodo-4-methyl-
CAS Number:
116632-42-9
Molecular Formula:
C7H6ClI
Molecular Weight:
252.4800
MDL Number:
MFCD00079734
IUPAC Name:
2-chloro-1-iodo-4-methylbenzene
InChI:
InChI=1S/C7H6ClI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChI Key:
IFXSHBHXDHPWEO-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)I
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.479g/mol
Monoisotopic Mass:
251.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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